SCHEMBL1027808

SCHEMBL1027808

Nc1ccc(Sc2ccc(N)c(C(=O)O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
KMT2A Q03164 4/20 0.61
MCL1 Q07820 3/20 0.61
MEN1 O00255 3/20 0.61
APEX1 P27695 2/20 0.61
THRB P10828 2/20 0.61
RECQL P46063 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
USP2 O75604 1/20 0.61
POLB P06746 1/20 0.61
PKM P14618 1/20 0.61
BLM P54132 1/20 0.61
KDM4E B2RXH2 5/20 0.53
GFER P55789 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
BCL2A1 Q16548 1/20 0.53
CYP3A4 P08684 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
GLA P06280 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1143102 0.93 KDM4E (0.61) MAPTKMT2AMCL1MEN1APEX1
SCHEMBL9198998 0.86 KEAP1 (0.66) MAPTKMT2AMCL1MEN1APEX1
SCHEMBL4952867 0.86 TSHR (0.50) MAPTKMT2AMCL1MEN1APEX1
SCHEMBL1027768 0.80 ALDH1A1 (0.54) MAPTKMT2AMCL1MEN1APEX1
SCHEMBL20718934 0.79 CYP3A4 (0.47) MAPTKMT2AMCL1MEN1APEX1
SCHEMBL107833 0.78 KMT2A (0.95) MAPTKMT2AMCL1MEN1APEX1
SCHEMBL3978328 0.78 MCL1 (0.65) MAPTKMT2AMCL1MEN1APEX1
SCHEMBL3941969 0.77 KDM4E (0.52) MAPTKMT2AMCL1MEN1APEX1
Hydrochloric Acid SCHEMBL864766 0.77 KMT2A (1.00) MAPTKMT2AMCL1MEN1APEX1
SCHEMBL22336405 0.77 APEX1 (0.67) KMT2AMCL1MEN1APEX1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102036952-A Bis-aryl compounds for use as medicaments BIOLIPOX AB 2011-04-27 CN disclosed
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R MAPT 4587/4885KMT2A 3849/4885MCL1 2428/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.